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Lab 7, PCA of small data set Beeromics , groups 3 and 4

Lab 7, PCA of small data set Beeromics , groups 3 and 4. Nils Nyberg NPR, Department of Drug Design and Pharmacology. Differences and similarities among beers . 500 µL Beer + 500 µL 1 M phosphate buffer ( pD 7.4), D 2 O

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Lab 7, PCA of small data set Beeromics , groups 3 and 4

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  1. NTDR, 2012 Lab 7, PCA of small data set Beeromics, groups 3 and 4 Nils Nyberg NPR, Department of Drug Design and Pharmacology

  2. Differences and similarities among beers • 500 µL Beer+ 500 µL 1 M phosphate buffer (pD 7.4), D2O • 6 different beers, 4 tubes/sample, analyzed twice = 48 spectra • Water signal suppression by presaturation

  3. Spectra

  4. Spectra

  5. PCA on whole range • Calibrated and Normalized using the internal reference signal from DSS at 0.0 ppm • 218 buckets • 0.04 ppm/bucket • Pareto scaled

  6. PCA on whole range • Loadings: Differences in sugar signals

  7. PCA on aromatic range; 5.8-9.0 ppm • Calibrated and Normalized using the internal reference signal from DSS at 0.0 ppm • 319 buckets • 0.01 ppm/bucket • Pareto scaled

  8. PCA on aromatic range; 5.8-9.0 ppm • Calibrated and Normalized using the internal reference signal from DSS at 0.0 ppm • 319 buckets • 0.01 ppm/bucket • Pareto scaled

  9. PCA on aromatic range; 5.8-9.0 ppm • Calibrated and Normalized using the internal reference signal from DSS at 0.0 ppm • 319 buckets • 0.01 ppm/bucket • Pareto scaled

  10. PCA on aromatic range • Loadings: Specific signals highlighted, but not possible to identify signals

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